(2Z)-2-(furan-2-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl (2E)-3-phenylprop-2-enoate

• ChemBase ID: 200884
• Molecular Formular: C22H14O5
• Molecular Mass: 358.34356
• Monoisotopic Mass: 358.08412355
• SMILES: C\1(=C\c2occc2)/C(=O)c2c(O1)cc(OC(=O)/C=C/c1ccccc1)cc2
• Canonical SMILES: O=C(Oc1ccc2c(c1)O/C(=C\c1ccco1)/C2=O)/C=C/c1ccccc1
• InChI: InChI=1S/C22H14O5/c23-21(11-8-15-5-2-1-3-6-15)26-17-9-10-18-19(14-17)27-20(22(18)24)13-16-7-4-12-25-16/h1-14H/b11-8+,20-13-
• InChIKey: AVVDGMKPVLAZBT-OLKAJYLJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-2-(furan-2-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl (2E)-3-phenylprop-2-enoate
• IUPAC Traditional name: (2Z)-2-(furan-2-ylmethylidene)-3-oxo-1-benzofuran-6-yl (2E)-3-phenylprop-2-enoate

Database IDs

• PubChem SID: 164256794
• PubChem CID: 1805846

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.4625473
• LogD (pH = 7.4): 4.4625473
• Log P: 4.4625473
• Molar Refractivity: 100.9858 cm^3
• Polarizability: 37.83132 Å^3
• Polar Surface Area: 65.74 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds